mdpy.integrator.LangevinIntegrator#

class mdpy.integrator.LangevinIntegrator(time_step, temperature, friction_rate, update_tile_list_frequency=10)[source]#
__init__(time_step, temperature, friction_rate, update_tile_list_frequency=10) None[source]#

Methods

__init__(time_step, temperature, friction_rate)

erase_cache()

integrate(ensemble[, num_steps])

Attributes

cur_positions

is_cached

pre_positions

time_step